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Information card for entry 7221716
Preview
| Coordinates | 7221716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H51 N11 Ni O6 |
|---|---|
| Calculated formula | C48 H51 N11 Ni O6 |
| SMILES | [Ni]1234(Oc5c(OC)cccc5C=[N]3C3C(=[O]1)N(N(C=3C)C)c1ccccc1)Oc1c(OC)cccc1C=[N]4C1=C(N(N(C1=[O]2)c1ccccc1)C)C.N#CC.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects |
| Authors of publication | Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 35 |
| Pages of publication | 6753 |
| a | 12.582 ± 0.0005 Å |
| b | 13.4972 ± 0.0007 Å |
| c | 13.9527 ± 0.0005 Å |
| α | 88.824 ± 0.004° |
| β | 88.632 ± 0.003° |
| γ | 89.748 ± 0.004° |
| Cell volume | 2368.28 ± 0.18 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171035 (current) | 2015-12-09 | cif/ Updating files of 7221715, 7221716, 7221717, 7221718, 7221719, 7221720, 7221721, 7221722, 7221723, 7221724 Original log message: Adding full bibliography for 7221715--7221724.cif. |
7221716.cif |
| 152715 | 2015-08-04 | cif/ Adding structures of 7221715, 7221716, 7221717, 7221718, 7221719, 7221720, 7221721, 7221722, 7221723, 7221724 via cif-deposit CGI script. |
7221716.cif |
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Users of the data should acknowledge the original authors of the
structural data.